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1150271-15-0 | Benzenemethanamine, N-(2-bromo-4-nitrophenyl)-
CAS No: 1150271-15-0 Catalog No: AG000FP9 MDL No:MFCD12026039
Product Description
Catalog Number:
AG000FP9
Chemical Name:
Benzenemethanamine, N-(2-bromo-4-nitrophenyl)-
CAS Number:
1150271-15-0
Molecular Formula:
C13H11BrN2O2
Molecular Weight:
307.1426
MDL Number:
MFCD12026039
IUPAC Name:
N-benzyl-2-bromo-4-nitroaniline
InChI:
InChI=1S/C13H11BrN2O2/c14-12-8-11(16(17)18)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChI Key:
KFZNBRDIUGUIKO-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1NCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.147g/mol
Monoisotopic Mass:
306g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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